NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3897 8.3044 120.3494 55.1982 33.2618 174.6414 2 K 4.2418 8.3529 127.0319 52.4537 34.6988 173.5002 3 P 4.5498 0.0000 0.0000 61.9338 33.3316 175.3823 4 V 3.9042 8.3068 117.5228 63.8361 31.9612 175.1965 5 T 4.9287 8.8336 114.4920 59.0657 71.7524 175.0596 6 L 3.5926 8.4884 121.5524 57.8122 41.3708 179.4066 7 Y 4.3831 7.5950 116.9023 61.0624 37.6488 178.1388 8 D 4.3925 8.2292 119.9591 57.4274 40.8847 179.0139 9 V 3.5892 7.5833 118.0538 65.6906 31.4816 177.6723 10 A 3.9623 8.1467 120.7086 55.1337 18.2896 179.2591 11 E 3.8935 8.6071 118.0852 59.7872 29.6241 178.4516 12 Y 4.1842 8.2753 118.0849 60.4032 38.8396 177.3412 13 A 4.1630 8.2398 121.3619 52.2786 18.9802 177.5995 14 G 3.8232 8.5019 104.2937 46.2191 0.0000 173.7267 15 V 4.5284 7.8712 110.9760 58.7776 35.9478 176.1218 16 S 4.3388 8.5464 118.5493 58.9305 63.6999 174.8261 17 Y 3.9994 9.0127 123.8207 61.3667 38.3725 178.9947 18 Q 4.0856 8.3100 117.7298 58.9435 28.6318 178.6318 19 T 3.9528 7.7864 117.8002 66.5568 68.5414 177.1477 20 V 3.6037 7.4686 120.5260 64.5433 31.7688 178.0703 21 S 3.7468 7.9550 114.4450 61.3032 62.0817 176.2382 22 R 3.9898 7.6188 121.1675 58.8207 29.7559 178.7198 23 V 3.5649 7.3394 118.2339 66.0349 31.4346 178.2093 24 V 3.7306 8.0167 116.3207 64.9665 31.4089 176.4838 25 N 4.8151 7.1560 112.8640 52.8043 39.4553 174.7528 26 Q 4.5002 7.9719 126.0609 57.0026 31.4864 174.7054 27 A 3.6667 8.3076 120.0749 52.4514 16.2059 178.0951 28 S 4.1466 7.9470 117.9236 61.5979 63.9650 175.8612 29 H 4.8184 7.6185 121.2822 53.0628 27.2687 174.1262 30 V 4.4499 7.2847 119.7567 60.6147 34.9944 175.0515 31 S 4.4181 8.4164 120.0251 57.3481 63.9842 174.1937 32 A 4.0879 8.0211 122.1055 54.4487 17.9469 179.3346 33 K 4.2771 7.9325 116.8085 59.6530 32.3976 179.2158 34 T 3.8239 7.8391 115.9740 66.6653 68.3838 176.6494 35 R 3.9311 8.0161 119.8692 59.1237 30.0299 179.0334 36 E 3.9669 8.0078 118.3675 59.1928 29.4688 179.2870 37 K 4.0202 8.2619 118.9779 59.7732 32.7602 179.7460 38 V 3.6176 7.9604 113.6671 64.2664 31.5096 178.3255 39 E 3.9731 8.4662 118.2865 59.2989 29.2781 179.2294 40 A 3.9651 8.3055 120.7633 55.1212 18.4406 179.1500 41 A 4.6385 8.7746 120.1737 56.0664 18.2908 179.8569 42 M 4.0571 8.2631 113.7485 58.3458 31.4038 178.3726 43 A 4.1807 8.0742 121.9470 55.0666 18.4111 179.5226 44 E 3.9704 8.6871 116.2223 59.4461 29.7557 178.9001 45 L 4.0291 7.8803 115.8203 54.5484 41.8598 176.8533 46 N 4.5862 7.9332 122.5482 53.5704 39.1635 171.6355 47 Y 3.6560 7.9513 123.5268 57.4633 36.4856 168.0899 48 I 4.2354 8.0770 124.8638 58.1003 39.3186 173.0857 49 P 4.2862 0.0000 0.0000 62.7165 31.7339 176.8236 50 N 4.2743 7.7683 116.4832 55.0764 37.1549 174.7142 51 R 4.4365 8.1685 113.9172 56.1681 30.9966 175.1650 52 C 4.3514 7.5860 112.1456 59.2691 29.8087 174.7938 53 A 4.5503 5.8000 119.7096 52.5745 21.4085 175.7708 54 Q 4.4697 8.0110 119.4135 55.9526 31.2818 176.8463 55 Q 4.4181 8.6221 113.9996 55.2813 30.2155 175.7024 56 L 4.2064 7.9305 120.9392 54.0003 40.1091 175.4279 57 A 4.1680 7.6293 127.4110 53.4494 19.4439 177.6473 58 G 3.7056 7.8638 104.1724 45.2116 0.0000 171.5459 59 K 4.4001 8.3740 122.8838 56.7820 34.8830 175.6329 60 Q 4.4309 7.8520 118.0209 54.3144 31.3969 175.2671 61 S 4.5717 8.6405 121.7881 57.2090 62.7413 174.1330 62 L 4.3061 8.2488 124.2362 54.6503 41.6830 176.9124 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.35 4.24 0.00 1.77 1.64 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.58 7.81 3 P 0.00 4.55 0.00 2.43 2.11 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 4 V 8.31 3.90 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.02 0.00 0.00 5 T 8.83 4.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 6 L 8.49 3.59 0.00 1.82 1.65 0.69 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.59 4.38 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.23 4.39 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.58 3.59 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.42 0.00 0.00 10 A 8.15 3.96 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.61 3.89 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 12 Y 8.28 4.18 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.24 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.87 4.53 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 16 S 8.55 4.34 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.01 4.00 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.31 4.09 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 19 T 7.79 3.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 V 7.47 3.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.75 0.00 0.00 21 S 7.95 3.75 0.00 2.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.62 3.99 0.00 1.81 2.08 0.00 3.60 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 23 V 7.34 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 24 V 8.02 3.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 25 N 7.16 4.82 0.00 2.76 2.81 0.00 0.00 7.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.97 4.50 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 27 A 8.31 3.67 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.95 4.15 0.00 3.73 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.62 4.82 0.00 3.16 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.28 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 31 S 8.42 4.42 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.02 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.93 4.28 0.00 1.97 2.10 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.41 7.81 34 T 7.84 3.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 35 R 8.02 3.93 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 36 E 8.01 3.97 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 37 K 8.26 4.02 0.00 2.01 2.00 0.00 1.27 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.50 7.81 38 V 7.96 3.62 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 39 E 8.47 3.97 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 40 A 8.31 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.77 4.64 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.26 4.06 0.00 2.27 2.57 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.89 0.00 43 A 8.07 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.69 3.97 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 45 L 7.88 4.03 0.00 1.54 1.58 0.76 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.93 4.59 0.00 2.84 2.99 0.00 0.00 7.06 8.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.95 3.66 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.08 4.24 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 1.02 0.00 0.00 49 P 0.00 4.29 0.00 2.06 2.06 0.00 3.70 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 50 N 7.77 4.27 0.00 2.85 2.90 0.00 0.00 6.86 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.17 4.44 0.00 1.85 1.92 0.00 3.45 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 52 C 7.59 4.35 0.00 3.15 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 5.80 4.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.01 4.47 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 55 Q 8.62 4.42 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 56 L 7.93 4.21 0.00 1.70 1.66 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.63 4.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.37 4.40 0.00 1.71 1.75 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.57 7.81 60 Q 7.85 4.43 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 61 S 8.64 4.57 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.25 4.31 0.00 1.61 1.55 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00